SCHEMBL12047901

SCHEMBL12047901

CN(c1ccccc1)c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.51
▸ DHFR P00374 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL279524 0.96 SIGMAR1 (0.51) SIGMAR1DHFRL3MBTL1PDE5ACYP1A2
SCHEMBL12048414 0.95 SIGMAR1 (0.48) SIGMAR1DHFRL3MBTL1PDE5ACYP1A2
SCHEMBL13721628 0.95 SIGMAR1 (0.50) SIGMAR1DHFRL3MBTL1PDE5ACYP1A2
SCHEMBL12047907 0.92 SIGMAR1 (0.45) SIGMAR1DHFRL3MBTL1PDE5ACYP1A2
SCHEMBL12048421 0.92 SIGMAR1 (0.45) SIGMAR1DHFRL3MBTL1PDE5ACYP1A2
SCHEMBL12048286 0.92 SIGMAR1 (0.48) SIGMAR1DHFRL3MBTL1PDE5ACYP1A2
SCHEMBL12047767 0.91 SIGMAR1 (0.50) SIGMAR1DHFRL3MBTL1PDE5A
SCHEMBL12047903 0.91 SIGMAR1 (0.50) SIGMAR1DHFRL3MBTL1CYP1A2CYP2D6
SCHEMBL12048291 0.90 SIGMAR1 (0.47) SIGMAR1DHFRL3MBTL1PDE5ASLC6A2
SCHEMBL12047986 0.90 SIGMAR1 (0.47) SIGMAR1DHFRL3MBTL1PDE5ASLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9502662-B2 Compound for an organic optoelectronic device, organic light-emitting element comprising same, and display device comprising the organic light-emitting element CHEIL INDUSTRIES, INC. (KR) 2016-11-22 — — US disclosed
US-9502662-B2 Compound for an organic optoelectronic device, organic light-emitting element comprising same, and display device comprising the organic light-emitting element CHEIL INDUSTRIES, INC. (KR) 2016-11-22 — — US disclosed
US-20150263291-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, AND DISPLAY DEVICE COMPRISING THE ORGANIC LIGHT-EMITTING ELEMENT CHEIL INDUSTRIES, INC. (KR) 2015-09-17 — — US disclosed
US-20150263291-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, AND DISPLAY DEVICE COMPRISING THE ORGANIC LIGHT-EMITTING ELEMENT CHEIL INDUSTRIES, INC. (KR) 2015-09-17 — — US disclosed
US-9048436-B2 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-02 — — US disclosed
US-9048436-B2 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-02 — — US disclosed
US-8968884-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2015-03-03 — — US disclosed
US-8968884-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2015-03-03 — — US disclosed
EP-1976838-B1 OXADIAZOLE DERIVATIVE, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING THE OXADIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LAB (JP) 2015-02-25 — — EP disclosed
US-20140299822-A1 Oxadiazole Derivative, and Light Emitting Element, Light Emitting Device, and Electronic Device Using the Oxadiazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-10-09 — — US disclosed
US-20090045721-A1 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2009-02-19 — — US disclosed
US-20080093983-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM. LTD. (KR) 2008-04-24 — — US disclosed
US-20080093983-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM. LTD. (KR) 2008-04-24 — — US disclosed
US-20080093982-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-04-24 — — US disclosed
US-20080093982-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-04-24 — — US disclosed
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-10-25 — — US disclosed
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-10-25 — — US disclosed
WO-2007074893-A1 OXADIAZOLE DERIVATIVE, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING THE OXADIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-07-05 — — WO disclosed
US-20070149784-A1 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2007-06-28 — — US disclosed
US-20070149784-A1 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2007-06-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070149784-A1 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative OXA1L, ADRA1D, CRY1 SIGMAR1 1454/4885DHFR 3897/4885L3MBTL1 909/4885
US-20150263291-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, AND DISPLAY DEVICE COMPRISING THE ORGANIC LIGHT-EMITTING ELEMENT AOX1, OCIAD1, AOC2 SIGMAR1 1977/4885DHFR 1708/4885L3MBTL1 1274/4885
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 SIGMAR1 4092/4885DHFR 1451/4885L3MBTL1 31/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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